@smirn.bsky.social
Reposted
New paper out in Journal of Physical Chemistry B with Dr Adam Kowalczyk!

We explored how structural differences—aglycone, glycoside, or glucuronide—affect flavonoid antioxidant activity using both experiments and quantum modeling.

🔗 doi.org/10.1021/acs....
#chemistry #DFT #antioxidants #science
Aglycone, Glycoside, or Glucuronide? Experimental and Mechanistic Insights into the Antioxidative Potential of Gossypetin, Gossypin, and Hibifolin
Oxidative stress, caused by an imbalance between reactive oxygen species and antioxidants, drives chronic diseases such as cancer and neurodegeneration. This study investigates the antioxidant potenti...
doi.org
July 16, 2025 at 8:27 PM
Reposted
A work on new semi-synthetic flavonoid derivatives with anti-tumor activity in lymphoma models is out in eJHaem. Thanks to Eugenio Gaudio, Paulina Biniecka, and Dan Stoicescu for involving us.
@iorbellinzona.bsky.social

doi.org/10.1002/jha2...
Novel Flavonoid Derivatives Show Potent Efficacy in Human Lymphoma Models
Background Despite significant therapeutic progress, many lymphoma subtypes remain difficult to manage due to resistance, relapse, and dose-limiting toxicity. Methods To elucidate the mechanism of...
doi.org
June 19, 2025 at 2:14 PM
Reposted
A fascinating study from the Tokyo University of Science showed that a common flavonoid found in foods like kale and broccoli suppressed #foodallergy symptoms in mice, hopefully leading to human therapies.
snacksafely.com/2024/12/stud...
Study: Kaempferol, a Common Plant Flavonoid, Helps Tame Allergic Responses
Kaempferol exerts an anti-inflammatory effect and can suppress an excessive immune response seen in allergies.
snacksafely.com
December 26, 2024 at 4:48 PM
Reposted
FlavonoidSearch: A system for comprehensive flavonoid annotation by mass spectrometry

www.nature.com/articles/s41...
March 21, 2025 at 9:34 AM
Reposted
Meet KIPEs3 – a powerful tool for decoding plant pigment biosynthesis! 🌱🎨 Now with enhanced features, it automates the analysis of flavonoid & carotenoid pathways across species, aiding research & biotech:
doi.org/10.1371/jour...
#PlantScience #KIPEs3 19/🧵
KIPEs3: Automatic annotation of biosynthesis pathways
Flavonoids and carotenoids are pigments involved in stress mitigation and numerous other processes. Both pigment classes can contribute to flower and fruit coloration. Flavonoid aglycones and caroteno...
doi.org
February 19, 2025 at 5:56 AM
Reposted
The flavonoid fisetin reduces multiple physiological risk factors for dementia
www.sciencedirect.com/science/arti...
Further human research on fisetin in the context of dementia risk factors is clearly warranted
The flavonoid fisetin reduces multiple physiological risk factors for dementia
Dementia is a growing problem around the globe as the world's population continues to age. Multiple studies have identified potentially modifiable ris…
www.sciencedirect.com
August 10, 2024 at 12:02 AM
Reposted
🌿 Seven compounds isolated from Hippeastrum stapfianum
✨ ellagitannin, alkaloid, triterpenoids, flavonoid & coumarin.
🔬 Three compounds identified in this species for the first time.
#Phytochemistry #Cerrado #PlantScience
@cnpq-oficial.bsky.social @FAPDF @UnB
www.sciencedirect.com/science/arti...
A new chemical study of Hippeastrum stapfianum (Kraenzl.) R.S.Oliveira & Dutilh (Amaryllidaceae)
A chemical investigation of the leaves and bulbs of Hippeastrum stapfianum (Kraenzl.) R.S.Oliveira & Dutilh) resulted in the isolation and purificatio…
www.sciencedirect.com
August 12, 2025 at 5:50 PM
Reposted
Uncover the antimicrobial superpowers of Limnophila aromatica - a traditional medicinal plant that harbors nevadensin, a potent flavonoid, and other bioactive compounds, offering promisin...

🧵 Thread below

Full analysis: https://helixbrief.com/article/c09c1fc6-3beb-447b-82a2-d0a7ae1be0b3
August 12, 2025 at 5:53 PM
Reposted
Decoding the Mystery Behind Anthocyanin Biosynthesis in Horticultural Plants

Recent advances in plant molecular biology have shed much light on the complex biosynthesis and regulatory networks underlying anthocyanin production in horticultural plants. Anthocyanins, a prominent class of flavonoid…
Decoding the Mystery Behind Anthocyanin Biosynthesis in Horticultural Plants
Recent advances in plant molecular biology have shed much light on the complex biosynthesis and regulatory networks underlying anthocyanin production in horticultural plants. Anthocyanins, a prominent class of flavonoid compounds, not only imbue flowers, fruits, and leaves with their vivid pigmentation but also play integral roles in plant physiological responses, including stress adaptation and disease resistance. Driven by interest in optimizing both the ornamental and nutritional qualities of horticultural crops, researchers are diving deeper into the metabolic pathways and gene expression programs responsible for anthocyanin accumulation.
scienmag.com
May 30, 2025 at 3:42 PM
Reposted
I'm always a little skeptical of flavonoid results because they seem to light up every assay but end up having few biological effects.

Side production of methanol always seemed like a credible hypothesis (disclaimer: rarely drink wine).
November 20, 2023 at 1:39 PM
Reposted
Engineered flavonoid disrupts mitochondrial AIF/CHCHD4 complex for targeted cancer therapy https://www.biorxiv.org/content/10.1101/2025.03.13.642976v1
March 16, 2025 at 3:06 AM
Reposted
Cacao genome sequence reveals insights into the flavonoid biosynthesis https://www.biorxiv.org/content/10.1101/2024.11.23.624982v1
Cacao genome sequence reveals insights into the flavonoid biosynthesis https://www.biorxiv.org/content/10.1101/2024.11.23.624982v1
Theobroma cacao is well known for its role in producing cacao. Many different cacao varieties are cu
www.biorxiv.org
November 26, 2024 at 2:02 AM
Reposted
Telomere-to-Telomere Genome Assembly of Yellow-Fruited Allotetraploid American Ginseng (Panax quinquefolius L.) Provides Insights into Flavonoid Biosynthesis. #T2T #AmericanGinsengGenome #FlavonoidBiosynthesis #PlantGenomics @horticulturer.bsky.social 🧬
academic.oup.com/hr/advance-a...
August 10, 2025 at 9:15 AM
Reposted
Can we learn protein biology from a language model?

In new work led by @liambai.bsky.social and me, we explore how sparse autoencoders can help us understand biology—going from mechanistic interpretability to mechanistic biology.
February 10, 2025 at 4:12 PM
Reposted
Boltz-1 & Boltz-2 now live via GUI & APIs! Predict protein, protein–RNA/DNA/ligand structures with confidence scores & binding affinity metrics for virtual screening. Compare finetuned models in the new overview page to find your best performer fast.
www.openprotein.ai/early-access...
July 25, 2025 at 5:18 PM
Reposted
A compelling review of how ML/AI could help in the quest to find an enzyme for every reaction.

@jsunn-y.bsky.social @francescazfl.bsky.social Yueming Long @francesarnold.bsky.social

www.cell.com/cell-systems...
September 3, 2025 at 12:47 PM
Reposted
Train a protein structure predictor that can handle 29 non-canonical amino acids, then use it to design binders with non-canonical amino acids that reduce immunogenicity.

@panhammarstrom.bsky.social @patrickbryant1.bsky.social

www.biorxiv.org/content/10.1...
September 9, 2025 at 8:03 PM
Reposted
Three BioML starter packs now!

Pack 1: go.bsky.app/2VWBcCd
Pack 2: go.bsky.app/Bw84Hmc
Pack 3: go.bsky.app/NAKYUok

DM if you want to be included (or nominate people who should be!)
December 3, 2024 at 3:27 AM
Reposted
Are the J Med Chem Editors aware of the observation, usually attributed to Jocelyn Bell Burnett, that it’s better that people ask why you didn’t win a Nobel Prize than why you did? (re-post) #MedChem #cheminformatics #DrugDesign #DrugDiscovery #chemsky 🧪
fbdd-lit.blogspot.com/2024/07/a-no...
A Nobel for property-based drug design?
[This post was updated on 10-Aug-2025 to mention my review of CNM2025 (Return to Flatland) which  critically examines ( 35 ) (Escape from ...
fbdd-lit.blogspot.com
August 11, 2025 at 6:39 AM
Reposted
I just joined Bluesky as well... let's rebuild the same nice community in the cheminformatics/comp chem/bioinformatics/drug discovery etc. areas that 'the other place' was in the good old days 😊! Looking forward to reconnecting with people here, Andreas
November 18, 2024 at 7:42 AM
Reposted
🧪 For people interested in AI & enzymes (enzyme engineering, design, discovery, ...), I'm assembling a starter pack for us.

DM if you'd like to be included!

go.bsky.app/MhfaQBh
November 20, 2024 at 11:24 AM
Reposted
I made a MD starter pack! Dm or reply to be added ☺️☺️

go.bsky.app/QQjPjbL
November 23, 2024 at 2:39 AM
bsky.app
August 6, 2025 at 9:24 PM
Reposted
The melting point of PEG polymer was increased by 30°C with rational co-crystal design, using solid form informatics methods to identify the best substitutions. ✅

Read the full story here🔗: ccdc-info.com/425hEcw

#MaterialsDesign #Cheminformatics #Polymers #ChemSky #CompChemSky
January 29, 2025 at 12:53 PM
Reposted
Although polymer informatics tools have supported speedup, polymer simulation protocols continue to face significant challenges: on-demand generation of realistic 3D atomic structures that respect the conformational diversity of polymer structures. [2/7 of https://arxiv.org/abs/2504.17656v1]
April 25, 2025 at 5:55 AM